2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine

C16H26N2O — CID 66346641

IUPAC2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC1Cc2ccccc2O1)C(C)(CC)CN
InChIInChI=1S/C16H26N2O/c1-4-16(3,12-17)18(5-2)11-14-10-13-8-6-7-9-15(13)19-14/h6-9,14H,4-5,10-12,17H2,1-3H3
InChIKeyIHGLCDUVLGTFQF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine (PubChem CID 66346641) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine
PubChem CID66346641
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC1Cc2ccccc2O1)C(C)(CC)CN
InChIInChI=1S/C16H26N2O/c1-4-16(3,12-17)18(5-2)11-14-10-13-8-6-7-9-15(13)19-14/h6-9,14H,4-5,10-12,17H2,1-3H3
InChIKeyIHGLCDUVLGTFQF-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine (CID 66346641) is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine is CCN(CC1Cc2ccccc2O1)C(C)(CC)CN.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The InChIKey is IHGLCDUVLGTFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(3,12-17)18(5-2)11-14-10-13-8-6-7-9-15(13)19-14/h6-9,14H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66346641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).